| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 19 | No |
Popular Name: N,N-diethyl-N'-[(2-oxoindolin-3-ylidene)amino]-1-sulfanyl-formamidine N,N-diethyl-N'-[(2-oxoindolin-3-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.49 | 7 | -15.39 | 2 | 5 | 0 | 60 | 276.365 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 5.13 | -49.92 | 1 | 5 | -1 | 64 | 275.357 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 1540 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50515 | Z50515 | Human Herpesvirus 2 | 1540 | 0.43 | Functional ≤ 10μM |
